Benzoic acid, 4-methoxy-

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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus456.15KN/AAnonymous, 1988Uncertainty assigned by TRC = 1. K; nominal value, from the catalog; TRC
Tfus456.75KN/AMarsh, 1987Uncertainty assigned by TRC = 0.2 K; recommended as fixed point for thermometry; TRC
Tfus457.8KN/AArmstrong, James, et al., 1979Uncertainty assigned by TRC = 0.5 K; TRC
Tfus457.KN/AHerbert, 1967Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Δvap92.kJ/molSub-FusPerlovich, Volkova, et al., 2008AC
Quantity Value Units Method Reference Comment
Δsub111.6 ± 0.6kJ/molGSPerlovich, Volkova, et al., 2008Based on data from 316. to 369. K.; AC
Δsub109.8 ± 0.6kJ/molMEStephenson and Malanowski, 1987See also Colomina, Jimenez, et al., 1978.; AC
Δsub109.8kJ/molN/AColomina, Jimenez, et al., 1978DRB

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
109.8 ± 0.6334.61VColomina, Jimenez, et al., 1978ALS

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
28.330456.70N/ASabbah and El Watik, 1992DH
29.9455.6DSCPerlovich, Volkova, et al., 2008AC
28.4457.8N/AAcree, 1991AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.0 ± 0.2EIBenoit, 1973LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H7O+12.8 ± 0.2COOHEIBenoit, 1973LLK
C8H7O2+12.5 ± 0.2OHEIBenoit, 1973LLK

De-protonation reactions

C8H7O3- + Hydrogen cation = Benzoic acid, 4-methoxy-

By formula: C8H7O3- + H+ = C8H8O3

Quantity Value Units Method Reference Comment
Δr1426. ± 8.8kJ/molG+TSYamdagni, McMahon, et al., 1974gas phase; B
Quantity Value Units Method Reference Comment
Δr1397. ± 8.4kJ/molIMREYamdagni, McMahon, et al., 1974gas phase; B

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Anonymous, 1988
Anonymous, X., , NBS Spec. Publ. (U. S.) 260, 1988. [all data]

Marsh, 1987
Marsh, K.N., Recommended Reference Materials for the Realization of Physicochemical Properties, Blackwell Sci. Pub., Oxford, 1987. [all data]

Armstrong, James, et al., 1979
Armstrong, N.A.; James, K.C.; Wong, C.K., Inter-relationships between solubilities, distribution coefficients and melting points of some substituted benzoic and phenylacetic acids, J. Pharm. Pharmacol., 1979, 31, 1, 627, https://doi.org/10.1111/j.2042-7158.1979.tb13606.x . [all data]

Herbert, 1967
Herbert, A.J., Transition temperatures and transition energies of the p-n-alkoxy benzoic acids, from n-propyl to n-octadecyl, Trans. Faraday Soc., 1967, 63, 555, https://doi.org/10.1039/tf9676300555 . [all data]

Perlovich, Volkova, et al., 2008
Perlovich, German L.; Volkova, Tatyana V.; Manin, Alex N.; Bauer-Brandl, Annette, Extent and mechanism of solvation and partitioning of isomers of substituted benzoic acids: A thermodynamic study in the solid state and in solution, J. Pharm. Sci., 2008, 97, 9, 3883-3896, https://doi.org/10.1002/jps.21260 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Colomina, Jimenez, et al., 1978
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C., Thermochemical properties of benzoic acid derivatives VII. Enthalpies of combustion and formation of the o-, m-, and p-methoxy-benzoic acids, J. Chem. Thermodyn., 1978, 10, 661-665. [all data]

Sabbah and El Watik, 1992
Sabbah, R.; El Watik, L., New reference materials for the calibration (temperature and energy) of differential thermal analysers and scanning calorimeters, J. Therm. Anal., 1992, 38(4), 855-863. [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Benoit, 1973
Benoit, F., Substituent effects in mass spectrometry. III. Substituent effects in the dissociation of the molecular ions of para and meta subtituted benzoic acids, Org. Mass Spectrom., 1973, 7, 295. [all data]

Yamdagni, McMahon, et al., 1974
Yamdagni, R.; McMahon, T.B.; Kebarle, P., Substituent Effects on the Intrinsic Acidities of Benzoic Acids Determined by Gas Phase Proton Transfer Equilibria Measurements, J. Am. Chem. Soc., 1974, 96, 12, 4035, https://doi.org/10.1021/ja00819a063 . [all data]


Notes

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